8HFP

Crystal structure of the methyl-CpG-binding domain of SETDB2 in complex with the cysteine-rich domain of C11orf46 protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-09
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0000
Spacegroup name	P 31 2 1
Unit cell lengths	69.970, 69.970, 116.880
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.060 - 1.820
R-factor	0.18812
Rwork	0.186
R-free	0.22662
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	in-house model (SAD-phased)
RMSD bond length	0.010
RMSD bond angle	1.678
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	SHELXCD
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.060	1.860
High resolution limit [Å]	1.820	1.820
Rmeas	0.098	0.898
Rpim	0.026	0.294
Number of reflections	30318	1709
<I/σ(I)>	15.8	2.3
Completeness [%]	99.8	96.8
Redundancy	13.1	8.6
CC(1/2)	0.999	0.812

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293.15	2.0 M ammonium sulfate 0.1 M Bis-Tris, pH 5.5